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Mannitol
- Family: Plantae - Rubiaceae
- Kingdom: Plantae
- Class: Alcohol
| Canonical Smiles | OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
|---|---|
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| InChIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| Formula | C6H14O6 |
| HBA | 6 |
| HBD | 6 |
| MW | 182.17 |
| Rotatable Bonds | 5 |
| TPSA | 121.38 |
| LogP | -3.59 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Fraction CSP3 | 1.0 |
| Exact Mass | 182.08 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Ammi majus | Apiaceae | Plantae | 48026 |
| 2 | Rothmannia talbotii | Rubiaceae | Plantae | 1317881 |
Showing of synonyms
Mannitol
D-mannitol
69-65-8
Mannite
Manna sugar
Cordycepic acid
Resectisol
Diosmol
Mannit
Mannazucker
Mannidex
Mannigen
Mannistol
Invenex
Isotol
Osmosal
Marine Crystal
Maniton-S
Bronchitol
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Mannitol 5%
Aridol
Mannitol 10%
Mannitol 15%
Mannitol 20%
Osmitrol 5% In Water
Osmitrol 10% In Water
Osmitrol 15% In Water
Osmitrol 20% In Water
Resectisol In Plastic Container
Mannitol (USP)
Mannitol 5% In Plastic Container
NCI-C50362
Mannitol 10% In Plastic Container
Mannitol 15% In Plastic Container
Mannitol 20% In Plastic Container
CCRIS 369
Mannitolum
HSDB 714
Manitol
CHEBI:16899
BRN 1721898
Maniton s
UNII-3OWL53L36A
Mannitol [USP]
NSC 407017
3OWL53L36A
INS NO.421
OSMITROL 5% IN WATER IN PLASTIC CONTAINER
DTXSID1023235
OSMITROL 10% IN WATER IN PLASTIC CONTAINER
OSMITROL 15% IN WATER IN PLASTIC CONTAINER
OSMITROL 20% IN WATER IN PLASTIC CONTAINER
INS-421
E-421
NSC-407017
E421
DTXCID603235
DTXSID30858955
4-01-00-02841 (Beilstein Handbook Reference)
Manita
MANNITOL (II)
MANNITOL [II]
E 421
MANNITOL (MART.)
MANNITOL [MART.]
MANNITOL (USP-RS)
MANNITOL [USP-RS]
MANNITOL (EP IMPURITY)
MANNITOL [EP IMPURITY]
MANNITOL (EP MONOGRAPH)
MANNITOL [EP MONOGRAPH]
MANNITOL (USP MONOGRAPH)
MANNITOL [USP MONOGRAPH]
ISOMALT IMPURITY B (EP IMPURITY)
ISOMALT IMPURITY B [EP IMPURITY]
NSC407017
ARIDOL KIT
GD11 Rx SCM C5
CHEBI:29864
CURESTEM CELL HEALER C20
DTXCID001324372
Aridol Bronchial Challenge Test Kit
ISOMALT IMPURITY, MANNITOL-(USP IMPURITY)
201-770-2
Osmitrol
Osmofundin
87-78-5
D-(-)-Mannitol
Mannitol, D-
Mannogem 2080
DL-Mannitol
Mannitol (VAN)
SDM No. 35
Hexahydroxyhexane
MFCD00064287
133-43-7
Mannitol-d
Rel-(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol
Mannitol [USAN]
NCGC00164246-01
Mannidex 16700
MTL
MANNITOL 25%
D-Mannit
CAS-69-65-8
Osmitrol (TN)
SMR000857324
D-Mannitol - EP
SR-01000838849
D-Mannitol, EP, USP grade
NSC 9256
EINECS 200-711-8
EINECS 201-770-2
Cordycepate
D-mitobronitol
MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER
AI3-19511
Mannit p
D-?Mannitol
Bronchitol (TN)
(D)-mannitol
Mannitol 25
Mannitol 35
Mannitol 60
D(-)Mannitol
Pearlitol 25 c
Pearlitol 50 c
Mannitol m300
Pearlitol 160 c
Mannitol 200
Mannitol 300
Pearlitol 200 sd
Pearlitol 300 dc
Mannitol 2080
D-Mannit 1000 microg/mL in Methanol
D-Mannitol (Osmitrol)
D-Mannitol (JP18)
MANNITOL [HSDB]
MANNITOL [FCC]
MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%
MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%
Crystalline mannitol fine
MANNITOL [MI]
MANNITOL [VANDF]
D-Mannitol, ACS reagent
D-Mannitol, >=98%
M0044
D-MANNITOL [JAN]
SCHEMBL919
Bmse000099
CHEMBL689
Epitope ID:114705
MANNITOL [WHO-DD]
Isomalt impurity, mannitol-
Crystalline mannitol standard
D-MANNITOL [WHO-IP]
ED1D1E61-FEFB-430A-AFDC-D1F4A957FC3D
MLS001335977
MLS001335978
D-Mannitol, Biochemical grade
Crystalline mannitol extra-fine
MANNITOL [ORANGE BOOK]
D-Mannitol, AR, >=99%
D-Mannitol, LR, >=99%
MANNITOLUM [WHO-IP LATIN]
HMS2230N11
HY-N0378
Tox21_112092
Tox21_201487
Tox21_300483
AKOS006280947
D-Mannitol, plant cell culture tested
Tox21_112092_1
BCP9000575
CCG-266445
D-Mannitol, BioXtra, >=98% (GC)
DB00742
MM02190
MM63310
D-Mannitol, NIST(R) SRM(R) 920
NCGC00164246-03
NCGC00164246-04
NCGC00164246-05
NCGC00164246-18
NCGC00254277-01
NCGC00259038-01
85085-15-0
AC-12776
AC-14054
AS-30501
D-Mannitol, tested according to Ph.Eur.
DA-65240
D-Mannitol, p.a., 96.0-101.5%
D-Mannitol, SAJ first grade, >=99.0%
SORBITOL-MANNITOL COMPONENT MANNITOL
D-Mannitol, SAJ special grade, >=99.0%
NS00068035
S2381
SW220287-1
C00392
D00062
EN300-212188
AB00443917_06
ISOMALT IMPURITY, MANNITOL- [USP IMPURITY]
Q407646
SR-01000838849-3
SR-01000838849-4
BRD-K30374899-001-09-3
D-Mannitol, ACS reagent, for microbiology, >=99.0%
LACTITOL MONOHYDRATE IMPURITY C [EP IMPURITY]
D-Mannitol, meets EP, FCC, USP testing specifications
Mannitol, European Pharmacopoeia (EP) Reference Standard
Z1198149813
D-Mannitol, BioUltra, >=99.0% (sum of enantiomers, HPLC)
Mannitol, United States Pharmacopeia (USP) Reference Standard
D-Mannitol, >=99.9999% (metals basis), for boron determination
Mannitol, Pharmaceutical Secondary Standard
Certified Reference Material
- Elgamal MHA, Shalaby NMM, et al. (1993). Coumarins and coumarin glucosides from the fruits of Ammi majus. Phytochemistry,1993,34(3),819-823. [View]
- Donfack A, Tala M, et al. (2017). Rothtalazepane, A New Azepane from the Wood of Rothmannia talbotii (Rubiaceae). Natural Product Communications, 2017, 12(9), 1435 - 1436. [View]
Pubchem:
6251
Cas:
69-65-8
Gnps:
CCMSLIB00005463604
Zinc:
ZINC000002041302
Kegg Ligand:
C00392
Chebi:
16899
Nmrshiftdb2:
60006045
Metabolights:
MTBLC16899
Chembl:
CHEMBL689
Comptox:
DTXSID1023235
Drugbank:
DB00742
Pdb Ligand:
MTL
Selleck:
D-Mannitol(Osmitrol)
CPRiL:
1739
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.12
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -2.63
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.11
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.4
- Plasma Protein Binding
- 37.65
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 3.31
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- -1.48
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- 2.84
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 3.45
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- -3.63
- Rat (Acute)
- 1.24
- Rat (Chronic Oral)
- 3.07
- Fathead Minnow
- 0.55
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 430.93
- Hydration Free Energy
- -23.63
- Log(D) at pH=7.4
- -3.1
- Log(P)
- -2.9
- Log S
- -0.2
- Log(Vapor Pressure)
- -13.45
- Melting Point
- 143.46
- pKa Acid
- 8.9
- pKa Basic
- 4.75
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.8883 |
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.8883 |
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.8882 |
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.8882 |
| Carbonic anhydrase 1 | P00915 | CAH1_HUMAN | Homo sapiens | 3 | 0.8800 |
| Carbonic anhydrase 1 | P00915 | CAH1_HUMAN | Homo sapiens | 3 | 0.8800 |
| Gag-Pol polyprotein | P0C6F2 | POL_HV1LW | Human immunodeficiency virus type 1 group M subtype B | 3 | 0.8421 |
| Gag-Pol polyprotein | P0C6F2 | POL_HV1LW | Human immunodeficiency virus type 1 group M subtype B | 3 | 0.8421 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8235 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8235 |
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.8206 |
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.8206 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7977 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7977 |
| Lactose operon repressor | P03023 | LACI_ECOLI | Escherichia coli | 3 | 0.7850 |
| Lactose operon repressor | P03023 | LACI_ECOLI | Escherichia coli | 3 | 0.7850 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.7842 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.7842 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7778 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7778 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.7772 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.7772 |
| Regucalcin | Q64374 | RGN_MOUSE | Mus musculus | 3 | 0.7439 |
| Regucalcin | Q64374 | RGN_MOUSE | Mus musculus | 3 | 0.7439 |
| Tachylectin-2 | Q27084 | TAL2_TACTR | Tachypleus tridentatus | 4 | 0.7394 |
| Tachylectin-2 | Q27084 | TAL2_TACTR | Tachypleus tridentatus | 4 | 0.7394 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.7350 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.7350 |
| Ascorbate-specific PTS system EIIC component | P39301 | ULAA_ECOLI | Escherichia coli | 3 | 0.7347 |
| Ascorbate-specific PTS system EIIC component | P39301 | ULAA_ECOLI | Escherichia coli | 3 | 0.7347 |
| Purine nucleoside phosphorylase DeoD-type | P0ABP8 | DEOD_ECOLI | Escherichia coli | 3 | 0.7159 |
| Purine nucleoside phosphorylase DeoD-type | P0ABP8 | DEOD_ECOLI | Escherichia coli | 3 | 0.7159 |
| Lysosomal acid glucosylceramidase | P04062 | GLCM_HUMAN | Homo sapiens | 3 | 0.7008 |
| Lysosomal acid glucosylceramidase | P04062 | GLCM_HUMAN | Homo sapiens | 3 | 0.7008 |